1-(4-nitrophenyl)sulfanyl-1-piperazin-1-yl-ethanethiol

Systemtic Name: 1-(4-nitrophenyl)sulfanyl-1-piperazin-1-yl-ethanethiol Openeye Name: 1-(4-nitrophenyl)sulfanyl-1-piperazin-1-yl-ethanethiol CAS Name: 1-[(4-nitrophenyl)thio]-1-(1-piperazinyl)ethanethiol IUPAC Name: 1-(4-nitrophenyl)sulfanyl-1-piperazin-1-ylethanethiol Traditional Name: 1-[(4-nitrophenyl)thio]-1-piperazino-ethanethiol Formula: C12H17N3O2S2 MolecularWeight: 299.41228

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCNCC1)(S)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(N1CCNCC1)(S)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O2S2/c1-12(18,14-8-6-13-7-9-14)19-11-4-2-10(3-5-11)15(16)17/h2-5,13,18H,6-9H2,1H3